4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol

C20H19F3N4O — CID 117085979

IUPAC4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C20H19F3N4O/c1-13-12-25-19(26-16-6-4-15(5-7-16)20(21,22)23)27-18(13)24-11-10-14-2-8-17(28)9-3-14/h2-9,12,28H,10-11H2,1H3,(H2,24,25,26,27)
InChIKeyJCUYDCIPLPNSRX-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.91
Rot. Bonds6

About 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117085979) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117085979
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCc1ccc(O)cc1
InChIInChI=1S/C20H19F3N4O/c1-13-12-25-19(26-16-6-4-15(5-7-16)20(21,22)23)27-18(13)24-11-10-14-2-8-17(28)9-3-14/h2-9,12,28H,10-11H2,1H3,(H2,24,25,26,27)
InChIKeyJCUYDCIPLPNSRX-UHFFFAOYSA-N
XLogP4.91
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

R-112
CID 9904854
4-[[2-(4-Hydroxyanilino)pyrimidin-4-yl]amino]phenol
CID 3008640
2,4-Bisanilinopyrimidine, 18
CID 22060262
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-[[2-(4-Hydroxyanilino)-5-methyl-pyrimidin-4-yl]amino]phenol
CID 5271602
2,4-Bisanilinopyrimidine, 24
CID 44224081
2,4-Bisanilinopyrimidine, 25
CID 44224082
2,4-Bisanilinopyrimidine, 27
CID 44224083
2,4-Bisanilinopyrimidine, 32
CID 44224087
2,4-Bisanilinopyrimidine, 33
CID 44224088
2,4-Bisanilinopyrimidine, 34
CID 44224089

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol (CID 117085979) is 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol is Cc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is JCUYDCIPLPNSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13-12-25-19(26-16-6-4-15(5-7-16)20(21,22)23)27-18(13)24-11-10-14-2-8-17(28)9-3-14/h2-9,12,28H,10-11H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 388.39 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-methyl-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117085979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).